1-(4-methylmorpholin-2-yl)oct-7-en-1-one

C13H23NO2 — CID 107008310

IUPAC1-(4-methylmorpholin-2-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CN(C)CCO1
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-7-8-12(15)13-11-14(2)9-10-16-13/h3,13H,1,4-11H2,2H3
InChIKeyCAIXJESSDPQNON-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.02
Rot. Bonds7

About 1-(4-methylmorpholin-2-yl)oct-7-en-1-one

1-(4-methylmorpholin-2-yl)oct-7-en-1-one (PubChem CID 107008310) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)oct-7-en-1-one
PubChem CID107008310
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-methylmorpholin-2-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CN(C)CCO1
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-7-8-12(15)13-11-14(2)9-10-16-13/h3,13H,1,4-11H2,2H3
InChIKeyCAIXJESSDPQNON-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)oct-7-en-1-one?
The IUPAC name of 1-(4-methylmorpholin-2-yl)oct-7-en-1-one (CID 107008310) is 1-(4-methylmorpholin-2-yl)oct-7-en-1-one.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)oct-7-en-1-one?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)oct-7-en-1-one is C=CCCCCCC(=O)C1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)oct-7-en-1-one?
The InChIKey is CAIXJESSDPQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-6-7-8-12(15)13-11-14(2)9-10-16-13/h3,13H,1,4-11H2,2H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)oct-7-en-1-one?
1-(4-methylmorpholin-2-yl)oct-7-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)oct-7-en-1-one is sourced from PubChem (CID 107008310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).